methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate

C32H33FN2O2 — CID 155908909

IUPACmethyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)nc1
InChIInChI=1S/C32H33FN2O2/c1-31(2,3)21-9-12-24(26(16-21)28-14-8-20(18-34-28)30(36)37-7)25-13-10-22(32(4,5)6)17-27(25)29-15-11-23(33)19-35-29/h8-19H,1-7H3
InChIKeyLZEPJPACNDUTQC-UHFFFAOYSA-N
MW496.63 g/mol
LogP8.00
Rot. Bonds4

About methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate

methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate (PubChem CID 155908909) has the molecular formula C32H33FN2O2 and a molecular weight of 496.63 g/mol. Its IUPAC name is methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate
PubChem CID155908909
Molecular FormulaC32H33FN2O2
Molecular Weight496.63 g/mol
Exact Mass496.25
IUPAC Namemethyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)nc1
InChIInChI=1S/C32H33FN2O2/c1-31(2,3)21-9-12-24(26(16-21)28-14-8-20(18-34-28)30(36)37-7)25-13-10-22(32(4,5)6)17-27(25)29-15-11-23(33)19-35-29/h8-19H,1-7H3
InChIKeyLZEPJPACNDUTQC-UHFFFAOYSA-N
XLogP8.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
CID 90122592
4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol
CID 136601832
tris(4-tert-butylphenyl)methyl 6-[5-[tris(4-tert-butylphenyl)methoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate
CID 101142380
1-[2-tert-butyl-5-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]-4-(3-fluoro-4-methyl-2-pyridinyl)phenyl]ethanone
CID 155908896
methyl 6-(2-methyl-5-nitro-3-pyridinyl)pyridine-3-carboxylate
CID 69163144
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 2-acetamido-4-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)benzoate
CID 164542000
ethane;methyl 3-[5-(2,2-dimethylpropylcarbamoyl)-2-pyridinyl]-5-fluoro-4-methylbenzoate
CID 143691455
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
6-(2-fluoro-5-methoxyphenyl)pyridine-3-carboxylic acid
CID 53223365
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate (CID 155908909) is methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)nc1.
What is the InChIKey of methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate?
The InChIKey is LZEPJPACNDUTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O2/c1-31(2,3)21-9-12-24(26(16-21)28-14-8-20(18-34-28)30(36)37-7)25-13-10-22(32(4,5)6)17-27(25)29-15-11-23(33)19-35-29/h8-19H,1-7H3.
What are the key properties of methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate?
methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate has a molecular weight of 496.63 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenyl]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 155908909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).